File name: Pandora21s1_Bremen_20231102_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250430T234120.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20231102_L1_smca1c10d20231020p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20231102 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231102T103442.6Z 8706.440771 382 1 7.59 2 68.20 171.24 80.06 303.19 0.00 1 0.00 1 0 25 3.453e-02 6.421e-03 2.374e-02 4.210e-03 3.490196e-01 2.163602e-03 4.706039e-03 -6.000000e+00 2.024856e-02 222.17 -2.00 3.88 -2.00 318.17 0.00e+00 -4.341181e-05 3.711704e-04 1.180619e-04 -6.000000e+00 8.312604e-04 272.73 -2.00 20.00 -2.00 317.88 0.00e+00 2.669 0.000 302.00 328.00 3 4.1231e+00 5.7130e-03 3.2784e-02 -6.0000e+00 5.0032e-02 4.3340e-02 6.4286e-03 1.9500e-02 -6.0000e+00 5.4515e-02 -6.2312e-03 4.3925e-03 9.9484e-03 -6.0000e+00 3.2160e-02 -3.1248e-03 2.3295e-03 2.9807e-03 -6.0000e+00 1.3651e-02 3.9733e-04 -5.7751e-04 1.3016e-04 3.6971e-05 -6.0000e+00 1.0400e-03 4.8476e-03 0.0000e+00 12 9 1 12 1 1 99.96 22.16 0.25 0.00485 0.00051 8 12 1 5 0 837.544 25.28 20.00 22.16 19.16 34.0 998.99 -3255 2703 1987 16238 -6751 27435 4712 -13583 -2651 -9546 5313 -6925 608 -3347 4819 -1496 299 -1062 -445 2330 -433 1752 -291 2458 -117 356 673 2156 -3955 -433 788 193 -492 -1058 199 -873 -1772 -287 388 -1702 -928 -1263 -1236 863 -2446 -2058 -763 -859 -65 1612 443 324 1407 -180 1135 -159 1636 -218 1770 573 1574 148 621 534 304 823 461 1023 1223 817 295 -237 -371 -326 43 200 824 -1039 -682 -176 -655 -1508 -1166 -410 -821 -398 -832 -82 -259 822 798 897 556 841 592 965 605 -472 -339 -1002 -371 500 -25 -806 -1304 -213 -671 244 236 241 -403 -157 -439 438 185 737 722 -30 -250 -566 -86 -573 323 253 164 863 991 625 467 452 -495 511 396 502 -470 -499 18 -53 47 -578 -368 49 900000 -186 156 115 776 -375 1140 263 -998 -191 -758 382 -611 58 -381 574 -205 43 -161 -70 367 -71 285 -51 444 -23 70 129 390 -743 -82 161 43 -117 -251 46 -211 -487 -91 142 -704 -406 -573 -572 395 -1153 -965 -351 -395 -30 764 225 175 794 -107 685 -99 1010 -135 1070 354 1011 102 457 404 226 582 319 727 940 680 258 -211 -325 -273 33 145 567 -737 -520 -148 -598 -1477 -1191 -434 -915 -461 -995 -99 -307 932 856 908 547 844 633 1114 755 -626 -458 -1328 -466 593 -30 -987 -1676 -282 -920 345 348 373 -643 -250 -681 647 262 1017 1008 -44 -377 -878 -134 -877 482 368 232 1176 1330 863 680 690 -783 820 650 851 -831 -904 34 -97 86 -1047 -648 84 900000 SS 20231102T104036.7Z 8706.444869 386 1 50.04 2 68.08 172.77 80.78 304.23 0.00 1 0.00 1 0 17 4.790e-02 6.834e-03 3.601e-02 4.862e-03 3.464941e-01 2.503248e-03 4.657783e-03 -6.000000e+00 2.808738e-02 222.17 -2.00 3.88 -2.00 318.90 0.00e+00 9.039304e-04 5.172921e-04 1.411368e-04 -6.000000e+00 1.153118e-03 272.73 -2.00 20.00 -2.00 318.61 0.00e+00 2.656 0.000 302.00 328.00 3 5.3634e+00 6.7163e-03 3.2646e-02 -6.0000e+00 6.9401e-02 6.9268e-02 7.6241e-03 1.9464e-02 -6.0000e+00 7.5620e-02 -1.6350e-03 5.6515e-03 9.9989e-03 -6.0000e+00 4.4610e-02 -5.6916e-03 3.0301e-03 3.0384e-03 -6.0000e+00 1.8935e-02 1.1466e-04 -3.2742e-04 1.5557e-04 3.8469e-05 -6.0000e+00 1.4427e-03 5.1399e-03 0.0000e+00 11 8 0 10 0 0 99.91 22.16 0.37 0.00514 0.00268 20 4 1 5 0 2501.411 25.28 20.00 22.16 19.45 34.2 1000.46 -33773 -13256 -24710 4425 -1959 9035 10529 -4557 5576 -14155 8846 -14038 1597 -10674 -2026 1380 5446 6848 -4000 3697 -3648 431 2784 3485 -110 2404 3237 4070 2217 -526 3624 2232 2591 291 2094 -2180 -301 211 -1391 -1278 -1957 -1134 -2580 2426 -1525 -1933 -221 1734 2267 87 -569 698 1122 -469 161 111 -1300 1775 1733 1955 199 894 1394 1216 -642 481 170 1626 -328 1279 -266 -152 305 -578 237 -923 -1761 562 -660 -308 -2597 -1289 -1407 110 -1082 24 -681 520 2 351 675 589 1182 812 1331 411 518 -513 95 -147 -166 -553 315 -1269 -1197 -866 -187 322 402 556 510 437 -128 89 199 -521 140 44 -454 -785 2 -389 109 297 -223 594 922 899 137 51 -29 -368 -94 583 182 363 152 -640 -67 -334 188 -348 900000 -1842 -638 -1315 169 -75 316 397 -219 264 -831 435 -944 108 -942 -187 134 542 707 -478 423 -452 52 345 456 -16 339 442 528 289 -74 537 368 451 51 353 -401 -62 51 -403 -414 -684 -410 -967 873 -573 -728 -81 624 822 34 -238 309 524 -232 82 57 -688 901 871 996 109 527 881 797 -417 292 101 985 -223 940 -210 -122 238 -429 160 -577 -1051 335 -436 -229 -2181 -1158 -1338 109 -1151 26 -789 602 3 381 679 552 1057 748 1324 456 634 -680 128 -192 -203 -635 354 -1513 -1512 -1141 -256 460 609 892 849 726 -205 135 283 -726 197 65 -708 -1268 4 -613 167 436 -317 803 1221 1234 203 80 -47 -623 -163 1051 345 710 303 -1300 -134 -655 355 -640 900000 SS 20231102T104617.6Z 8706.448815 389 1 30.78 2 67.99 174.25 81.45 305.25 0.00 1 0.00 1 0 25 3.389e-02 6.220e-03 2.581e-02 4.010e-03 3.445601e-01 2.060783e-03 4.656843e-03 -6.000000e+00 1.987466e-02 222.17 -2.00 3.88 -2.00 318.57 0.00e+00 7.164394e-04 3.923075e-04 1.277328e-04 -6.000000e+00 8.159801e-04 272.73 -2.00 20.00 -2.00 318.29 0.00e+00 2.645 0.000 302.00 328.00 3 5.0425e+00 5.4857e-03 3.2488e-02 -6.0000e+00 4.9108e-02 5.4754e-02 6.1975e-03 1.9344e-02 -6.0000e+00 5.3509e-02 -6.8240e-03 4.4215e-03 9.8992e-03 -6.0000e+00 3.1566e-02 -2.7005e-03 2.3639e-03 2.9836e-03 -6.0000e+00 1.3398e-02 1.6182e-04 -5.9507e-04 1.2580e-04 3.7473e-05 -6.0000e+00 1.0209e-03 5.3330e-03 0.0000e+00 12 1 1 12 1 1 99.56 22.17 0.24 0.00533 0.00086 8 3 1 5 0 3418.908 25.28 20.00 22.17 19.64 34.0 1000.81 -9535 6298 -5098 -14780 1854 -25809 -9299 30 -367 8270 -6315 -961 -10450 2024 -3340 -7248 -1838 942 1020 702 -397 -1314 480 2485 -1359 -3481 2201 1431 3303 -2777 175 206 1407 -1744 -3109 1574 -977 -515 -373 -1867 142 -815 -377 -1027 -643 -606 -427 943 2040 779 1012 392 2089 821 -953 251 674 505 1079 1709 1580 1210 876 283 218 519 1375 1100 621 228 102 -110 105 -889 116 155 -1255 1338 -531 -450 -1447 -1496 -1565 -712 -1144 311 -366 4 -315 -234 817 -84 1350 441 1174 221 331 2 -198 -126 -1088 83 -280 -847 -1483 -216 -399 76 24 385 -4 -105 214 -97 866 419 513 65 -533 -721 -192 51 148 409 508 450 1061 654 562 637 -16 176 501 51 -359 106 -204 -528 -232 -218 -358 1 900000 -473 288 -257 -765 77 -1415 -478 2 -21 449 -409 -65 -902 181 -357 -875 -224 117 132 94 -54 -184 69 375 -224 -594 347 217 485 -453 30 39 281 -355 -625 316 -228 -141 -120 -679 54 -326 -153 -424 -266 -250 -174 379 822 331 459 191 1059 439 -532 142 381 283 595 951 928 768 598 201 151 340 870 721 447 179 84 -93 87 -704 85 103 -807 856 -375 -354 -1265 -1406 -1548 -734 -1250 352 -430 5 -369 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